smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4O[C@@H]4[C@H]4[C@@H](C2)N(C)CC[C@]314	ZINC000005966751	181302241	/nfs/dbraw/zinc/30/22/41/181302241.db2.gz	CZFLZQNGKYPMPO-FABPZWMKSA-N	0	3	313.353	0.921	1	30		DCEFHN
CC(C)N1CCN(CCNCC(=O)N2CCC[C@@H]2C#N)C1=O	ZINC000042921789	581094319	/nfs/dbraw/zinc/09/43/19/581094319.db2.gz	KLJSOYITKAKIOU-CYBMUJFWSA-N	0	3	307.398	0.237	1	30		DCEFHN
COC[C@H]1CCCN1C(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C#N	ZINC000040913913	183148459	/nfs/dbraw/zinc/14/84/59/183148459.db2.gz	HNNVETJNGHJPTM-MJBXVCDLSA-N	0	3	322.409	0.246	1	30		DCEFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100385963	574417384	/nfs/dbraw/zinc/41/73/84/574417384.db2.gz	GMJGNVBUEAIXLC-NSHDSACASA-N	0	3	321.381	0.011	1	30	endogenous,in-vitro	DCEFHN
CC(C)(C)N1CCN(CCNCC(=O)N2CCC[C@@H]2C#N)C1=O	ZINC000042920626	183317998	/nfs/dbraw/zinc/31/79/98/183317998.db2.gz	IGXRKOKMUWKATC-CYBMUJFWSA-N	0	3	321.425	0.627	1	30		DCEFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100385960	574417386	/nfs/dbraw/zinc/41/73/86/574417386.db2.gz	GMJGNVBUEAIXLC-LLVKDONJSA-N	0	3	321.381	0.011	1	30	endogenous,in-vitro	DCEFHN
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC	ZINC000095556445	185379726	/nfs/dbraw/zinc/37/97/26/185379726.db2.gz	XIVQQGYSZPSBSE-KLOLGFOXSA-N	0	3	319.442	0.167	1	30		DCEFHN
COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4O[C@@H]4[C@@H]4[C@@H](C2)N(C)CC[C@]314	ZINC000027857997	182493476	/nfs/dbraw/zinc/49/34/76/182493476.db2.gz	CZFLZQNGKYPMPO-VCQRHZAVSA-N	0	3	313.353	0.921	1	30		DCEFHN
N#Cc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)nc1	ZINC000087664193	185230021	/nfs/dbraw/zinc/23/00/21/185230021.db2.gz	OFIKATYTXHUVBY-RYUDHWBXSA-N	0	3	303.391	0.629	1	30		DCEFHN
COc1c2c(cc3c1CN1CC[C@@]34[C@@H]3O[C@@H]3[C@@H](O)C[C@H]14)OCO2	ZINC000095910228	560058985	/nfs/dbraw/zinc/05/89/85/560058985.db2.gz	HHEOZJCKMANJQV-BFOVYPLBSA-N	0	3	317.341	0.782	1	30	biogenic,in-vitro	DCEFHN
COC[C@@H]1CCCN1C(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C#N	ZINC000040915256	183147760	/nfs/dbraw/zinc/14/77/60/183147760.db2.gz	HNNVETJNGHJPTM-IHRRRGAJSA-N	0	3	322.409	0.246	1	30		DCEFHN
CCCCCCCCCN[C@@H]1[C@@H](OC)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095556011	185379702	/nfs/dbraw/zinc/37/97/02/185379702.db2.gz	XIVQQGYSZPSBSE-RWHKXBQASA-N	0	3	319.442	0.167	1	30		DCEFHN
CN(C)C1CSC(C#N)(C(=O)N2CCN(C)CC2)SC1	ZINC000039612628	183020950	/nfs/dbraw/zinc/02/09/50/183020950.db2.gz	LUYNDMKRVQPEQH-UHFFFAOYSA-N	0	3	314.480	0.390	1	30		DCEFHN